⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19174467 | 1.00 | — | — | |
| SCHEMBL16691064 | 1.00 | — | — | |
| SCHEMBL14617991 | 0.97 | — | — | |
| SCHEMBL18032007 | 0.83 | — | — | |
| SCHEMBL12719848 | 0.72 | — | — | |
| SCHEMBL14354711 | 0.72 | — | — | |
| SCHEMBL12436668 | 0.71 | — | — | |
| SCHEMBL14346345 | 0.71 | — | — | |
| SCHEMBL20413233 | 0.71 | — | — | |
| SCHEMBL13854600 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2264043-B1 | Heterobifunctional pan-selectin inhibitors | GLYCOMIMETICS INC (US) | 2017-11-08 | — | — | EP | disclosed |